利用固体与分子经验电子理论(EET),计算镍基单晶合金的电子结构参数。根据计算结果,从电子层次探讨Re强化镍基合金的微观机理。结果表明:镍基合金中加入Re元素,基体和增强体的电子结构参数 nA′均不同程度增大,使γ与γ′相的结构单元中原子键结合能力增强;使镍基合金γ与γ′相的原子状态数σN均增大,增加了基体和增强相的稳定性;γ与γ′相界面的原子状态组数增加,进而提高了合金的蠕变强度。
Electronic structure parameters of phase and phase interface were calculated by EET method. Based on the calculation results,the strengthening mechanism of Re on Ni?based single crystal superalloy was discussed. The results show that with the addition of Re,the nA′ and σN of γ and γ′ increase. For the phase interface,the addition of Re increases the σ of γ/γ′ interface. All these increase the microstructure stability and the creep strength of the alloy.
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